Information card for entry 4111338

Structure parameters

• Chemical name: 1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (73%) and 1,2-bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (27%)
• Formula: C26.46 H17.46 F6 N0.54 S2
• Calculated formula: C26.372 H17.372 F6 N0.628 S2
• Title of publication: Photochromism of Mixed Crystals Containing Bisthienyl-, Bisthiazolyl-, and Bisoxazolylethene Derivatives
• Authors of publication: Shizuka Takami; Lumi Kuroki; Masahiro Irie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7319 - 7326
• a: 11.808 ± 0.003 Å
• b: 13.568 ± 0.003 Å
• c: 14.917 ± 0.003 Å
• α: 81.763 ± 0.003°
• β: 82.255 ± 0.003°
• γ: 82.303 ± 0.003°
• Cell volume: 2327.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No